| SpectraBase Compound ID | EmrFolrLnFF |
|---|---|
| InChI | InChI=1S/C8H16ClN/c9-5-8-10-6-3-1-2-4-7-10/h1-8H2 |
| InChIKey | FEZWHSLWYVTEDN-UHFFFAOYSA-N |
| Mol Weight | 161.68 g/mol |
| Molecular Formula | C8H16ClN |
| Exact Mass | 161.097127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4HzerVCw1px |
|---|---|
| Name | 1-(2-Chloroethyl)azepane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.097127219 u |
| Formula | C8H16ClN |
| InChI | InChI=1S/C8H16ClN/c9-5-8-10-6-3-1-2-4-7-10/h1-8H2 |
| InChIKey | FEZWHSLWYVTEDN-UHFFFAOYSA-N |
| Molecular Weight | 161.676 g/mol |
| SMILES | C(Cl)CN1CCCCCC1 |